Clopidol - ≥98% , CAS No.2971-90-6

CAS: 2971-90-6 Cat. No.: C140426 Formule: C₇H₇Cl₂NO Poids moléculaire: 192.04 Numéro CE: 221-008-2

GRADE & PURITY ≥98%

Synonyms

AC-24199 | Coccidiostat C | NCGC00095166-03 | Clopidol (USAN/INN) | Pharmcoccide | SPBio_000055 | 3,5-dichloro-2,6-dimethylpyridin-4(1H)-one | 3,6-dimethyl-4-pyridinol | CLOPIDOL (MART.) | Clopidol, VETRANAL(TM), analytical standard | HMS2090O19 | ZDPIZLC

Storage

Room temperature

Shipped In

Normal

Vue d’ensemble

An antiprotozoal agent.

Specifications

Synonymes

AC-24199 | Coccidiostat C | NCGC00095166-03 | Clopidol (USAN/INN) | Pharmcoccide | SPBio_000055 | 3,5-dichloro-2,6-dimethylpyridin-4(1H)-one | 3,6-dimethyl-4-pyridinol | CLOPIDOL (MART.) | Clopidol, VETRANAL(TM), analytical standard | HMS2090O19 | ZDPIZLC

Spécifications et pureté

≥98%

Mécanismes biochimiques et physiologiques

Antiprotazoal agent. Inhibits electron transport in mitochondria. Active in vivo . Orally active.

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Note

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Pureté

≥98%

Noms et identifiants

• Pubchem Sid: 488182435
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488182435
• Sourires canoniques: CC1=C(C(=O)C(=C(N1)C)Cl)Cl
• IUPAC Name: 3,5-dichloro-2,6-dimethyl-1H-pyridin-4-one
• InChIKey: ZDPIZLCVJAAHHR-UHFFFAOYSA-N
• INCHI: 1S/C7H7Cl2NO/c1-3-5(8)7(11)6(9)4(2)10-3/h1-2H3,(H,10,11)
• Isomères SMILES: CC1=C(C(=O)C(=C(N1)C)Cl)Cl
• Poids moléculaire: 192.04
• Reaxy-Rn: 1525793
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1525793&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Pyridines and derivatives
      • Subclass Halopyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Pyridines and derivatives
• Subclass: Halopyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Polyhalopyridines
• Alternative Parents: Methylpyridines Dihydropyridines Aryl chlorides Vinylogous amides Heteroaromatic compounds Cyclic ketones Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Polyhalopyridine - Dihydropyridine - Methylpyridine - Aryl chloride - Aryl halide - Hydropyridine - Vinylogous amide - Heteroaromatic compound - Cyclic ketone - Azacycle - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as polyhalopyridines. These are organic compounds containing a pyridine ring substituted at two or more positions by a halogen atom.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Cibles associées (humaines)

HepG2 (196354 Activities)

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SLCO1B1 Tchem Solute carrier organic anion transporter family member 1B1 (2672 Activities)

Discover Target: SLCO1B1

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SLCO1B3 Tchem Solute carrier organic anion transporter family member 1B3 (2517 Activities)

Discover Target: SLCO1B3

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Cibles associées (non humaines)

Hdac6 Histone deacetylase 6 (222 Activities)

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Escherichia coli (133304 Activities)

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Enterococcus faecium (13803 Activities)

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Lacticaseibacillus casei (578 Activities)

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Plasmodium falciparum (966862 Activities)

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Plasmodium berghei (192651 Activities)

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Plasmodium yoelii (6656 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

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Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Soluble in water (0.01 mg/ml at 25 °C).
• Poids moléculaire: 192.040 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 190.99 Da
• Monoisotopic Mass: 190.99 Da
• Topological Polar Surface Area: 29.100 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 252.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Références

1. Xu Li, Rui Zhao, Di Shao, Yue Yuan, Shuyun Bi.  (2022)  Multispectral and molecular modeling investigations on the binding behaviors of two anticoccidials with serum albumins.  JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS,      [PMID:33583333] [10.1080/07391102.2021.1886173]

2. Li Hongmei, Yue Xiaxia, Gao Ningning, Tang Jun, Lv Xiaoyi, Hou Junwei.  (2020)  Microwave method synthesis of magnetic ionic liquid/gold nanoparticles as ultrasensitive SERS substrates for trace clopidol detection.  ANALYTICAL AND BIOANALYTICAL CHEMISTRY,  412  (13): (3063-3071).  [PMID:32215690] [10.1007/s00216-020-02588-7]

Foire aux questions

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

How should this product be stored?

Store at room temperature.

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 2971-90-6, the molecular formula is C7H7Cl2NO, and the molecular weight is 192.04 g/mol. InChIKey ZDPIZLCVJAAHHR-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.